AC1LYSSQ structure

AC1LYSSQ

ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate

Also Known As: BAS 03154863|ethyl 2-(3-isonicotinoylthioureido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate|ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate|ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}thiophene-3-carboxylate

CAS: 369404-17-1
Molecular Formula C23H22N4O4S2
Molecular Weight 482.10825 g/mol
LogP 4.31574
Topological Polar Surface Area 109.42 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 482.10825
Monoisotopic Mass 482.10825
Heavy Atoms 33
Complexity 1208.4254

Chemical Identifiers

CAS Number 369404-17-1
SMILES CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CC=NC=C3

Product Overview

AC1LYSSQ (CAS 369404-17-1), with molecular formula C23H22N4O4S2 and molecular weight 482.10825 g/mol. IUPAC: ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylcarbamothioylamino)thiophene-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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What documentation do you provide with the product?
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